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Arthur M. Halpern; Yingbin Ge; Eric D. Glendening – Journal of Chemical Education, 2022
FINDIF is a Windows application that numerically solves the one-dimensional (1D) Schrödinger equation and displays the eigenstates, eigenvalues, and probability density of the system. FINDIF accepts both nonperiodic and periodic 1D potential energy functions as input and uses the finite difference method to evaluate the energy of the quantum…
Descriptors: Computer Software, Quantum Mechanics, Chemistry, Visualization
Agcali, Rahime Yagmur; Atik, Bahar; Bilgen, Ecenaz; Karli, Berfu; Danisman, Mehmet Fatih – Journal of Chemical Education, 2019
Understanding the concepts of quantum mechanics has always been a challenge for undergraduate students. This is especially so because many of the introductory (analytically solvable) systems and problems discussed in textbooks are seemingly abstract. Using approximate experimental demonstrations of such systems and problems have been shown to be…
Descriptors: Science Instruction, Undergraduate Students, College Science, Quantum Mechanics
Camrud, Evan; Turner, Daniel B. – Journal of Chemical Education, 2017
Numerous computational and spectroscopic studies have demonstrated the decisive role played by nonadiabatic coupling in photochemical reactions. Nonadiabatic coupling drives photochemistry when potential energy surfaces are nearly degenerate at avoided crossings or truly degenerate at unavoided crossings. The dynamics induced by nonadiabatic…
Descriptors: Chemistry, Science Instruction, College Science, Graduate Study
Brom, Joseph M. – Journal of Chemical Education, 2017
The concept of wave-particle duality in quantum theory is difficult to grasp because it attributes particle-like properties to classical waves and wave-like properties to classical particles. There seems to be an inconsistency involved with the notion that particle-like or wave-like attributes depend on how you look at an entity. The concept comes…
Descriptors: Chemistry, Science Instruction, Measurement Techniques, Scientific Concepts